0 mol 11 unq 0 iso 0 dist 7.05626 4.37231 6.35398 12.3213 9.81983 10.7048 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 5.94245 5.88932 6.42748 4.21233 6.31608 4.22652 numMergedOcc 0
2 mol 15 unq 1 iso 0 dist 5.94245 9.21064 7.48342 4.21233 6.31608 12.2746 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.54052 10.0565 6.14538 11.8083 5.27979 7.15034 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 7.42828 7.45926 9.30539 6.21311 9.97813 4.73184 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 5.98441 5.55005 9.30539 7.17072 9.97813 4.73184 numMergedOcc 0
6 mol 91 unq 2 iso 0 dist 5.45873 9.57561 9.30539 10.0233 9.97813 4.73184 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 6.45174 6.24368 7.02927 8.58563 5.54226 4.56372 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.70427 7.32041 7.02927 3.68143 5.54226 4.56372 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 9.17878 6.46081 8.8822 16.4052 7.40338 15.3211 numMergedOcc 0
10 mol 117 unq 0 iso 0 dist 9.40308 7.31538 7.70232 3.65999 6.5788 4.46691 numMergedOcc 0
11 mol 117 unq 1 iso 0 dist 8.00497 7.31538 7.4671 3.65999 6.2771 4.46691 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 6.41084 10.4817 8.10291 10.2696 4.92382 8.76709 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 6.8891 16.1376 9.97343 14.2035 9.38036 6.45283 numMergedOcc 0
14 mol 141 unq 2 iso 0 dist 6.8891 10.4675 9.70413 14.2035 9.38036 11.3136 numMergedOcc 0
15 mol 182 unq 0 iso 0 dist 9.38111 11.8631 7.09394 14.9932 9.98182 6.45169 numMergedOcc 0
16 mol 182 unq 1 iso 0 dist 9.38111 11.8631 7.09394 7.7167 9.02127 6.1548 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.71806 9.45062 8.65535 4.02402 8.43182 12.8006 numMergedOcc 0
18 mol 196 unq 0 iso 0 dist 9.42877 6.94473 6.70531 9.69543 6.14222 5.93821 numMergedOcc 0
19 mol 196 unq 1 iso 0 dist 9.42877 12.8012 6.86319 9.69543 6.14222 12.4987 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 9.28249 9.17618 5.50492 15.678 9.30179 8.49798 numMergedOcc 0
21 mol 244 unq 1 iso 0 dist 9.28249 9.17618 5.50492 14.6968 6.10489 9.54706 numMergedOcc 0
22 mol 244 unq 2 iso 0 dist 9.28249 9.17618 5.50492 11.0278 4.4204 4.06591 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.7282 8.71871 5.48118 3.89698 8.76518 10.3504 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 6.7282 7.87761 7.25858 3.89698 8.76518 10.9925 numMergedOcc 0
25 mol 278 unq 0 iso 0 dist 8.91606 15.2651 8.00673 3.64811 8.1769 13.7796 numMergedOcc 0
26 mol 278 unq 1 iso 0 dist 8.91606 15.2651 8.00673 6.31745 7.1656 10.2359 numMergedOcc 0
27 mol 278 unq 2 iso 0 dist 8.91606 9.04802 6.62841 3.64811 8.1769 9.26354 numMergedOcc 0
28 mol 278 unq 3 iso 0 dist 8.91606 9.04802 6.62841 6.31745 7.1656 5.33325 numMergedOcc 0
